2-[cyclohexyl(methyl)amino]-2-thiophen-3-ylethanethioamide

C13H20N2S2 — CID 84749285

IUPAC2-[cyclohexyl(methyl)amino]-2-thiophen-3-ylethanethioamide
SMILESCN(C1CCCCC1)C(C(N)=S)c1ccsc1
InChIInChI=1S/C13H20N2S2/c1-15(11-5-3-2-4-6-11)12(13(14)16)10-7-8-17-9-10/h7-9,11-12H,2-6H2,1H3,(H2,14,16)
InChIKeyOSKFJCYUFLWZPL-UHFFFAOYSA-N
MW268.45 g/mol
LogP3.34
Rot. Bonds4

About 2-[cyclohexyl(methyl)amino]-2-thiophen-3-ylethanethioamide

2-[cyclohexyl(methyl)amino]-2-thiophen-3-ylethanethioamide (PubChem CID 84749285) has the molecular formula C13H20N2S2 and a molecular weight of 268.45 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-2-thiophen-3-ylethanethioamide.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-2-thiophen-3-ylethanethioamide
PubChem CID84749285
Molecular FormulaC13H20N2S2
Molecular Weight268.45 g/mol
Exact Mass268.11
IUPAC Name2-[cyclohexyl(methyl)amino]-2-thiophen-3-ylethanethioamide
SMILESCN(C1CCCCC1)C(C(N)=S)c1ccsc1
InChIInChI=1S/C13H20N2S2/c1-15(11-5-3-2-4-6-11)12(13(14)16)10-7-8-17-9-10/h7-9,11-12H,2-6H2,1H3,(H2,14,16)
InChIKeyOSKFJCYUFLWZPL-UHFFFAOYSA-N
XLogP3.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]-2-thiophen-3-ylethanethioamide?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-2-thiophen-3-ylethanethioamide (CID 84749285) is 2-[cyclohexyl(methyl)amino]-2-thiophen-3-ylethanethioamide.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-2-thiophen-3-ylethanethioamide?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-2-thiophen-3-ylethanethioamide is CN(C1CCCCC1)C(C(N)=S)c1ccsc1.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-2-thiophen-3-ylethanethioamide?
The InChIKey is OSKFJCYUFLWZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S2/c1-15(11-5-3-2-4-6-11)12(13(14)16)10-7-8-17-9-10/h7-9,11-12H,2-6H2,1H3,(H2,14,16).
What are the key properties of 2-[cyclohexyl(methyl)amino]-2-thiophen-3-ylethanethioamide?
2-[cyclohexyl(methyl)amino]-2-thiophen-3-ylethanethioamide has a molecular weight of 268.45 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-2-thiophen-3-ylethanethioamide is sourced from PubChem (CID 84749285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).